Ethyl 3-bromobenzoate - CAS 24398-88-7
Catalog: |
BB018460 |
Product Name: |
Ethyl 3-bromobenzoate |
CAS: |
24398-88-7 |
Synonyms: |
ethyl 3-bromobenzoate |
IUPAC Name: | ethyl 3-bromobenzoate |
Description: | Ethyl 3-bromobenzoate (CAS# 24398-88-7) is a useful research chemical. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3 |
InChI Key: | QAUASTLEZAPQTB-UHFFFAOYSA-N |
Boiling Point: | 130-131 ℃ |
Density: | 1.431 g/mL at 25 ℃ (lit.) |
MDL: | MFCD00013529 |
LogP: | 2.62580 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021130079-A | Liquid fixed quantity discharge device | 20200218 |
KR-20210081285-A | Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133038-A1 | Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof | 20191223 |
EP-3831940-A1 | Small molecule inhibitors of crispr-cas associated activity | 20191205 |
WO-2021001330-A1 | Heterocyclic monoacylglycerol lipase (magl) inhibitors | 20190703 |
PMID | Publication Date | Title | Journal |
22463689 | 20120411 | Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides | Journal of the American Chemical Society |
21580319 | 20100206 | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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